| SpectraBase Compound ID | IPrtkU77Sms |
|---|---|
| InChI | InChI=1S/C31H42O5/c1-19-8-7-9-22(4)27-17-29(32)23(5)15-28(27)30(33)34-26-16-25(11-10-20(2)14-19)36-31(18-26)13-12-21(3)24(6)35-31/h7-10,15,17,19,21,24-26,32H,11-14,16,18H2,1-6H3/b8-7+,20-10+,22-9+/t19?,21-,24-,25?,26?,31-/m0/s1 |
| InChIKey | PPMBESPRWFQXDF-UXINGMCJSA-N |
| Mol Weight | 494.7 g/mol |
| Molecular Formula | C31H42O5 |
| Exact Mass | 494.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZqRZapxobI |
|---|---|
| Name | Milbemycin B3 |
| CAS Registry Number | 56198-39-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H42O5 |
| InChI | InChI=1S/C31H42O5/c1-19-8-7-9-22(4)27-17-29(32)23(5)15-28(27)30(33)34-26-16-25(11-10-20(2)14-19)36-31(18-26)13-12-21(3)24(6)35-31/h7-10,15,17,19,21,24-26,32H,11-14,16,18H2,1-6H3/b8-7+,20-10+,22-9+/t19?,21-,24-,25?,26?,31-/m0/s1 |
| InChIKey | PPMBESPRWFQXDF-UXINGMCJSA-N |
| Instrument Name | Bruker WM-250 |
| Literature Reference | S.R. Schow, J.D. Bloom, A.S. Thompson, J. Am. Chem. Soc. 108, 2662 (1986). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |